Molecule

Repandine; Me ether

AlkaPlorer ID: AK299815

Synonym: O-Methylrepandine

IUPAC Name: 6,20,21,25-tetramethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1C3=C(C=C(OC)C(OC)=C3OC3=C(OC)C=C4CCN(C)C(C2)C4=C3)CCN1C

InChI: InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)18-24-9-12-31(41-3)33(19-24)45-27-10-7-23(8-11-27)17-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3

InChIKey: FBCXFKWMGIWMJQ-UHFFFAOYSA-N

Reference

Two new alkaloids from berberis laurina billb.

PubChem CID: 284692

CAS: 1263-80-5

LOTUS: LTS0051113

NPASS: NPC170299

COCONUT: CNP0210999.3

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Thalictrum minus	Thalictrum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Nyssa sinensis	Nyssa	Nyssaceae	Cornales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Daphnandra repandula	Daphnandra	Atherospermataceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Thalictrum lucidum	Thalictrum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Daphnandra johnsonii	Daphnandra	Atherospermataceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Isopyrum thalictroides	Isopyrum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Berberis repens	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 622.7620000000001

TPSA？: 61.860000000000014

MolLogP？: 7.162400000000009

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi